HMDB0013317 RDKit 3D Tridecanoylglycine 48 47 0 0 0 0 0 0 0 0999 V2000 -5.6088 -1.7375 3.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5189 -2.2224 2.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 -1.2711 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3048 -1.8325 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0577 -1.0067 -1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6485 0.4020 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 0.4389 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 -0.2128 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 0.4233 -2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 -0.3208 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 -0.2830 -1.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 1.1255 -1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 1.2116 -0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 0.1260 -0.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 2.4518 -0.3838 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9186 2.4689 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 1.8483 1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 1.4077 1.9797 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6045 1.7492 2.7383 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 -1.5796 4.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9514 -0.7510 2.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5051 -2.4023 3.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7903 -3.2410 1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 -2.3128 2.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -0.2500 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3516 -1.3747 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6312 -2.8471 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3777 -1.9798 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -1.4895 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -1.0680 -1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 0.9295 -1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 0.9692 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 1.4703 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5606 -0.1220 0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -0.0521 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 -1.2855 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 0.3015 -2.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3401 1.4934 -1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 0.1348 -3.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 -1.3717 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 -0.8705 -0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 -0.7919 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 1.7331 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 1.5791 -2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 3.3658 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 1.8891 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3329 3.4961 0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5959 1.6612 2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 19 48 1 0 M END